methyl 4-[[6-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[6-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[6-[2-(methylamino)-2-oxo-ethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[6-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-keto-6-[2-keto-2-(methylamino)ethyl]-1H-pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CNC(=O)CC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H17N3O4S/c1-17-13(20)7-12-8-14(21)19-16(18-12)24-9-10-3-5-11(6-4-10)15(22)23-2/h3-6,8H,7,9H2,1-2H3,(H,17,20)(H,18,19,21)